Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets

Wei P. Feinstein, Michal Brylinski. Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets. J. Cheminformatics, 7, 2015. [doi]

Authors

Wei P. Feinstein

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Michal Brylinski

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